AG007L13

282524-86-1 | 3-(4-Bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoic acid

AG007L13

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CAS Number	282524-86-1
Catalog Number	AG007L13(AGN-PC-0KK6LI)
Chemical Name	3-(4-Bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoic acid
IUPAC Name	3-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)
InChI Key	ZAMLGGRVTAXBHI-UHFFFAOYSA-N
MDL Number	MFCD02093998
Molecular Formula	C14H18BrNO4
Molecular Weight	344.2010
SMILES	O=C(O)CC(NC(OC(C)(C)C)=O)C1=CC=C(Br)C=C1
Synonyms	282524-86-1, 3-(4-bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoic acid, 3-(Boc-amino)-3-(4-bromophenyl)propionic Acid, 3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoic acid, 3-(4-bromophenyl)-3-(tert-butoxycarbonylamino)propanoic acid, 3-N-Boc-3-(4-bromophenyl)propionic acid, 3-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, Boc-R-3-Amino-3-(4-bromo-phenyl)-propionic acid, Boc-S-3-Amino-3-(4-bromo-phenyl)-propionic acid, (R,S)-Boc-3-amino-3-(4-bromophenyl)-propionic acid, 3-(4-Bromophenyl)-3-[(tert-butoxycarbonyl)amino]-propanoic acid, Boc-4-bromo-D-|A-phenylalanine, Boc-4-bromo-L-|A-phenylalanine, AK-39919, AC1MBUCA, SCHEMBL2794895, CTK7J1649, (3R)-3-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, 3-(4-Bromo-phenyl)-3-tert-butoxycarbonylamino-propionic acid, KS-00001ZT6, MFCD02093998, AKOS005070958, RP16818, RTR-012500, ACM282524861, BBV-38259553, SY016357, AX8182339, FT-0680585, MFCD02093998 (95%), K-7059, 7R-0623, I04-3566, J-510658, 3-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}propanoic acid, 3-(4-Bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoic acid, AldrichCPR, 2-HYDROXY-6-METHYLBENZOIC ACID, CID2756775, 261165-06-4, Boc-3-Amino-3-(4-bromophenyl)propionic acid, (S)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoic acid, 261380-20-5, (R)-N-Boc-3-Amino-3-(4-bromophenyl)propanoic acid, (S)-3-(Boc-amino)-3-(4-bromophenyl)propionic acid, (R)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoic acid, (3S)-3-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, 5731-17-9,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	343.042g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	344.205g/mol
Monoisotopic Mass	343.042g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330-P501
UN Code

Certificate of Analysis

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